File name: Pandora206s1_BuffaloNY_20221005_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T042018.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20221005_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20221005 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20221005T114830.0Z 8313.492014 76 1 41.38 2 85.16 101.22 149.36 305.79 0.00 1 0.00 1 0 25 6.390e-01 6.305e-02 4.826e-01 4.729e-02 9.828455e-01 2.819417e-02 1.228233e-02 -6.000000e+00 3.669183e-01 226.73 -2.00 3.55 -2.00 322.23 0.00e+00 -2.329611e-02 1.321428e-02 5.954248e-03 -6.000000e+00 1.849743e-02 282.94 -2.00 20.00 -2.00 321.67 0.00e+00 10.050 0.019 302.00 328.00 3 8.7374e-01 1.0343e-01 1.1304e-01 -6.0000e+00 9.1546e-01 2.0423e+00 1.2776e-01 5.4041e-02 -6.0000e+00 1.0036e+00 -2.1569e+00 8.9579e-02 3.5311e-02 -6.0000e+00 5.9282e-01 7.5794e-01 4.5901e-02 1.9137e-02 -6.0000e+00 2.5748e-01 3.9473e-06 -2.1046e-03 1.2812e-03 3.0975e-04 -6.0000e+00 1.8707e-02 6.0034e-03 1.1478e-04 12 8 8 10 0 0 -65.21 17.97 2.27 0.00600 -0.00981 15 7 2 8 0 2758.040 15.01 17.97 12.96 21.48 21.38 12.6 908.54 900000 900000 108853 900000 900000 134551 10737 900000 85276 900000 146207 30680 106681 210001 900000 91776 900000 98663 116367 -19305 900000 900000 900000 -64592 33365 40488 142474 900000 10743 -105393 11117 89972 237416 900000 74201 900000 -6992 900000 900000 126471 8442 26219 900000 1357 900000 9459 3964 -70757 48128 2666 71399 61648 18835 140352 227604 66474 212349 64218 74529 28282 -28345 36192 -51541 111526 -4356 46089 8406 19596 30673 24125 49859 38574 87321 95365 86594 -14487 41780 68804 5626 -12377 -4208 31738 9122 5081 -2952 -1306 277 10752 -28043 8503 -3505 20563 15049 -10427 8467 -9764 5122 2171 1223 7358 3226 -5042 7377 -13375 19472 -12549 9411 5681 3904 -689 732 -2981 -5641 2564 -11547 12003 -5850 4986 -5589 4421 1299 4189 1128 1141 -999 -4528 2287 2411 7704 -2484 2692 -2162 1291 -3723 1346 830 2265 -745 309 -33 -227 2837 -4414 900000 900000 5002 900000 900000 6182 617 900000 3918 900000 6718 1880 4902 9649 900000 4217 900000 4533 5347 -2339 900000 900000 900000 -12411 2648 3044 6547 900000 673 -20251 743 4134 10909 900000 3409 900000 -584 900000 900000 5811 1128 2957 900000 170 900000 909 381 -14187 3016 278 4175 4378 2203 6449 10458 6414 9757 6197 5822 3119 -5210 3659 -12702 6662 -861 5294 1429 3152 4933 4767 8248 7267 9630 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6.2780e-05 6.7299e-05 -6.0000e+00 1.3600e-02 6.4940e-03 -2.7036e-05 11 8 0 10 0 0 9.46 17.98 0.39 0.00649 0.00179 307 95 1 8 0 148.900 15.00 17.98 15.24 21.48 21.38 12.8 924.19 -147078 -139810 -119727 -136458 -186933 -177003 -215097 -173544 -186442 -170033 -153769 -163432 -113924 -123589 -47000 -70403 -48531 -18405 -43633 -4561 -29625 -10619 -51864 -29151 -43160 -30965 -24447 -38836 -34251 -38618 -27779 -21668 -17649 -12674 -21140 -13160 -9757 -10547 4157 -520 5112 669 10302 1711 5697 4695 -423 4090 2036 7142 2062 5318 4278 3524 5900 2224 4963 1534 1777 1944 2043 3878 3539 6521 3854 3089 3603 1638 4185 1569 3145 1156 2601 1199 559 -91 -2176 13 -1663 -581 -1383 -612 -2145 -1636 -943 -298 403 580 838 771 458 443 -443 -944 -470 -974 107 32 -50 -454 -854 -1123 -1553 -940 -1337 -936 -815 -452 -301 176 593 428 423 176 -92 69 -250 77 -265 39 -154 331 549 211 827 86 473 468 377 202 250 208 -316 -70 -153 60 64 160 23 -30 3 -349 -464 -800 -824 -624 -804 -1652 -1444 -2876 -1770 -2492 -2119 -1707 -2333 -1291 -1988 -447 -1021 -638 -200 -662 -50 -423 -125 -999 -502 -929 -631 -476 -836 -691 -910 -724 -633 -584 -425 -723 -420 -343 -449 191 -30 317 47 686 126 409 350 -34 329 177 641 222 623 557 509 886 363 816 258 288 309 339 706 744 1515 955 748 877 426 1195 488 1055 409 888 388 181 -26 -616 4 -562 -234 -597 -302 -1170 -938 -579 -194 272 400 575 504 278 254 -250 -567 -322 -784 99 34 -57 -513 -900 -1061 -1346 -840 -1302 -952 -879 -525 -386 256 873 663 653 263 -142 102 -381 124 -414 62 -242 539 865 321 1203 122 648 692 640 354 483 428 -686 -161 -383 157 155 398 57 -76 6 -780 -1014 SS 20221005T122305.6Z 8313.516037 88 1 45.72 2 79.04 107.35 153.71 319.04 0.00 1 0.00 1 0 25 3.509e-01 6.168e-03 4.491e-02 1.282e-03 6.128506e-01 6.678606e-04 6.997155e-03 -6.000000e+00 1.951265e-01 226.73 -2.00 3.55 -2.00 321.03 0.00e+00 2.194489e-03 3.021213e-04 9.829201e-04 -6.000000e+00 8.679879e-03 282.94 -2.00 20.00 -2.00 320.43 0.00e+00 5.068 0.002 302.00 328.00 3 5.8961e-01 2.2049e-03 5.9139e-02 -6.0000e+00 4.8380e-01 5.4449e-02 2.9563e-03 3.3026e-02 -6.0000e+00 5.2706e-01 -6.5367e-02 2.9275e-03 1.7365e-02 -6.0000e+00 3.1422e-01 1.6483e-02 1.4208e-03 5.7791e-03 -6.0000e+00 1.3354e-01 1.1203e-03 -2.8943e-04 3.4996e-05 6.6031e-05 -6.0000e+00 8.9559e-03 6.1054e-03 -2.0211e-05 10 0 0 10 0 0 -4.17 17.98 0.34 0.00611 0.00393 522 161 1 8 0 87.580 14.99 17.98 16.59 21.48 21.38 12.9 931.60 -144077 -102828 -116597 -121147 -139730 -108360 -123123 -105699 -94805 -83883 -87730 -87892 -65653 -64320 -32909 -40891 -22871 -38564 -21465 -24309 -16330 -25552 -20702 -22951 -16591 -12506 -20443 -14911 -24672 -14109 -14641 -7272 -7180 -6257 -8605 -9545 -9190 -3065 -325 -737 741 1319 2414 430 2781 314 905 77 1857 305 4251 3214 3525 3344 3053 2504 2338 1308 1048 1241 1791 2591 2807 4089 1698 1721 881 480 1292 1090 1185 1038 817 368 -235 -996 -1194 -2085 -1107 -1395 -860 -1110 -1793 -1567 -827 -459 -25 483 641 905 721 241 -353 -43 -266 -147 316 561 193 -213 -337 -1030 -968 -664 -1164 -1153 -774 -604 -140 360 542 510 361 131 -94 99 -111 146 -73 57 -266 253 197 376 474 234 281 616 400 322 91 -54 -344 -192 -8 -287 91 129 7 -69 30 -81 -292 -1477 -810 -1137 -1182 -1485 -854 -1247 -1031 -948 -818 -922 -1066 -821 -1013 -477 -767 -400 -878 -446 -550 -349 -598 -494 -620 -452 -349 -629 -416 -744 -423 -535 -290 -334 -305 -401 -455 -495 -186 -24 -65 72 136 260 48 309 37 107 10 237 42 640 545 651 676 654 561 541 303 236 276 415 663 744 1204 526 510 263 149 445 437 519 471 364 155 -90 -379 -429 -775 -423 -638 -454 -670 -1180 -1085 -612 -361 -20 404 534 715 527 166 -236 -30 -210 -134 331 617 228 -245 -395 -1090 -942 -672 -1287 -1333 -946 -726 -183 527 869 851 594 207 -139 141 -162 223 -120 97 -444 403 305 558 674 321 374 872 646 579 179 -103 -691 -408 -19 -687 220 319 17 -160 67 -169 -598 SS 20221005T123027.4Z 8313.521151 91 1 46.22 2 77.76 108.70 154.50 322.30 0.00 1 0.00 1 0 25 2.377e-01 5.435e-03 2.677e-02 9.142e-04 5.629191e-01 4.653772e-04 6.436136e-03 -6.000000e+00 1.321632e-01 226.73 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